COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.816  -1.991   0.129  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.089   0.133   0.708  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.415  -0.026   2.209  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.026   1.262   0.237  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.178   2.511  -0.113  1.00  0.00           C  
HETATM    6  C   UNL     1       4.318   3.379  -0.453  1.00  0.00           C  
HETATM    7  C   UNL     1       4.963   2.720   0.576  1.00  0.00           C  
HETATM    8  C   UNL     1       4.971   1.338   0.614  1.00  0.00           C  
HETATM    9  C   UNL     1       4.334   0.616  -0.377  1.00  0.00           C  
HETATM   10  C   UNL     1       3.688   1.275  -1.406  1.00  0.00           C  
HETATM   11  C   UNL     1       3.680   2.657  -1.444  1.00  0.00           C  
HETATM   12  C   UNL     1       3.339  -1.654   2.130  1.00  0.00           C  
HETATM   13  C   UNL     1       3.776  -3.062   2.542  1.00  0.00           C  
HETATM   14  C   UNL     1       0.839  -0.824   0.285  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.558  -1.265  -0.156  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.820  -0.475   0.285  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.763   1.715   1.528  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.125   3.648   0.346  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.543  -1.582  -1.653  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.884  -2.133  -2.063  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.119  -3.494  -2.007  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.349  -3.999  -2.383  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.345  -3.143  -2.815  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.111  -1.782  -2.871  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.882  -1.276  -2.490  1.00  0.00           C  
HETATM   26  C   UNL     1       3.016   5.400   0.157  1.00  0.00           C  
HETATM   27  C   UNL     1       4.303   4.886  -0.491  1.00  0.00           C  
HETATM   28  C   UNL     1       4.097  -3.079   4.037  1.00  0.00           C  
HETATM   29  C   UNL     1       2.645  -4.052   2.251  1.00  0.00           C  
HETATM   30  N   UNL     1       3.119  -1.615   0.682  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.515  -0.188   0.105  1.00  0.00           N  
HETATM   32  O   UNL     1       3.980  -1.585  -1.630  1.00  0.00           O  
HETATM   33  O   UNL     1       5.557  -1.522   0.308  1.00  0.00           O  
HETATM   34  O   UNL     1       1.271   0.271  -0.525  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.202  -1.627   0.229  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.700   0.516   0.525  1.00  0.00           O  
HETATM   37  O   UNL     1      -5.926   1.260   2.613  1.00  0.00           O  
HETATM   38  O   UNL     1      -6.783   3.149   1.520  1.00  0.00           O  
HETATM   39  O   UNL     1       4.363   5.329  -1.848  1.00  0.00           O  
HETATM   40  S   UNL     1       4.344  -1.145  -0.329  1.00  0.00           S  
HETATM   41  H   UNL     1       1.432  -2.861   0.662  1.00  0.00           H  
HETATM   42  H   UNL     1       1.926  -2.233  -0.928  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.303  -0.791   0.170  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.172  -0.798   2.353  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.513  -0.269   2.770  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.692   0.956  -0.570  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.246   2.524   0.452  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.986   2.568  -1.184  1.00  0.00           H  
HETATM   49  H   UNL     1       5.462   3.284   1.351  1.00  0.00           H  
HETATM   50  H   UNL     1       5.477   0.823   1.418  1.00  0.00           H  
HETATM   51  H   UNL     1       3.191   0.711  -2.181  1.00  0.00           H  
HETATM   52  H   UNL     1       3.176   3.172  -2.248  1.00  0.00           H  
HETATM   53  H   UNL     1       2.414  -1.396   2.645  1.00  0.00           H  
HETATM   54  H   UNL     1       4.116  -0.939   2.399  1.00  0.00           H  
HETATM   55  H   UNL     1       4.662  -3.347   1.976  1.00  0.00           H  
HETATM   56  H   UNL     1       0.809  -0.513   1.330  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.851  -2.155   0.401  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.768   1.298   1.589  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.553   4.547   0.576  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.866   3.859  -0.426  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.337  -0.671  -2.215  1.00  0.00           H  
HETATM   62  H   UNL     1       0.232  -2.320  -1.860  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.341  -4.163  -1.670  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.533  -5.063  -2.340  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.307  -3.538  -3.109  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.889  -1.114  -3.208  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.700  -0.213  -2.530  1.00  0.00           H  
HETATM   68  H   UNL     1       2.971   5.062   1.193  1.00  0.00           H  
HETATM   69  H   UNL     1       3.006   6.490   0.130  1.00  0.00           H  
HETATM   70  H   UNL     1       2.155   5.015  -0.389  1.00  0.00           H  
HETATM   71  H   UNL     1       5.164   5.271   0.056  1.00  0.00           H  
HETATM   72  H   UNL     1       3.210  -2.794   4.603  1.00  0.00           H  
HETATM   73  H   UNL     1       4.408  -4.082   4.330  1.00  0.00           H  
HETATM   74  H   UNL     1       4.902  -2.374   4.244  1.00  0.00           H  
HETATM   75  H   UNL     1       1.723  -3.695   2.710  1.00  0.00           H  
HETATM   76  H   UNL     1       2.506  -4.138   1.174  1.00  0.00           H  
HETATM   77  H   UNL     1       2.902  -5.027   2.664  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.211   0.732   0.149  1.00  0.00           H  
HETATM   79  H   UNL     1       1.245   0.092  -1.475  1.00  0.00           H  
HETATM   80  H   UNL     1       3.626   5.023  -2.394  1.00  0.00           H  
CONECT    1   14   30   41   42                                       
CONECT    2   36    3    4   43                                       
CONECT    3   37    2   44   45                                       
CONECT    4    2   17    5   46                                       
CONECT    5   18    4   47   48                                       
CONECT    6   27    7    7   11                                       
CONECT    7    6    6    8   49                                       
CONECT    8    7    9    9   50                                       
CONECT    9    8    8   10   40                                       
CONECT   10   11   11    9   51                                       
CONECT   11    6   10   10   52                                       
CONECT   12   13   30   53   54                                       
CONECT   13   28   12   29   55                                       
CONECT   14   34    1   15   56                                       
CONECT   15   14   19   31   57                                       
CONECT   16   31   36   35   35                                       
CONECT   17   37   38    4   58                                       
CONECT   18   38    5   59   60                                       
CONECT   19   15   20   61   62                                       
CONECT   20   19   25   25   21                                       
CONECT   21   20   22   22   63                                       
CONECT   22   21   21   23   64                                       
CONECT   23   24   24   22   65                                       
CONECT   24   25   23   23   66                                       
CONECT   25   20   20   24   67                                       
CONECT   26   27   68   69   70                                       
CONECT   27   39   26    6   71                                       
CONECT   28   13   72   73   74                                       
CONECT   29   13   75   76   77                                       
CONECT   30   12    1   40                                            
CONECT   31   15   16   78                                            
CONECT   32   40   40                                                 
CONECT   33   40   40                                                 
CONECT   34   14   79                                                 
CONECT   35   16   16                                                 
CONECT   36   16    2                                                 
CONECT   37    3   17                                                 
CONECT   38   18   17                                                 
CONECT   39   27   80                                                 
CONECT   40    9   30   32   32                                       
CONECT   40   33   33                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   31                                                      
CONECT   79   34                                                      
CONECT   80   39                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
